| SpectraBase Spectrum ID |
8JRVWpPCMM4 |
| Name |
2-Pentanone |
| CAS Registry Number |
107-87-9 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
86.073164941 u |
| Formula |
C5H10O |
| InChI |
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 |
| InChIKey |
XNLICIUVMPYHGG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
86.134 g/mol |
| Nominal Mass |
86 u |
| Quality |
964 |
| Retention Index |
581 |
| SMILES |
C(C(=O)C)CC |
| SPLASH |
splash10-0006-9000000000-91bdbc301460f0906bf1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pentan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007013 |
